Chemical ID: 4236393

c1ccc2c(c1)c(c[nH]2)C(=O)C(=O)NCc3ccc(cc3)Br
Chemical ID:
4236393
Name [?]:
N-[(4-bromophenyl)methyl]-2-(1H-indol-3-yl)-2-oxo-acetamide
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)C(=O)C(=O)NCc3ccc(cc3)Br
InChi [?]:
InChI=1/C17H13BrN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,21,18,20,15,8,16,19,5,7,4,10,12,22,9,14,11,13/E:(5,6)(7,8)/rA:22nCCCCCCCCNCOCONCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;d10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.9056
Area:514.563
Solvation:-1.95844
Coulombic:-45.9344
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.201
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):3.97

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